Theobromine, 8-(butylthio)-
Names
[ CAS No. ]:
74039-56-8
[ Name ]:
Theobromine, 8-(butylthio)-
Chemical & Physical Properties
[ Density]:
1.41g/cm3
[ Molecular Formula ]:
C11H16N4O2S
[ Molecular Weight ]:
268.33500
[ Exact Mass ]:
268.09900
[ PSA ]:
97.98000
[ LogP ]:
0.85250
[ Index of Refraction ]:
1.67
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH2372000
- CHEMICAL NAME :
- Theobromine, 8-(butylthio)-
- CAS REGISTRY NUMBER :
- 74039-56-8
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H16-N4-O2-S
- MOLECULAR WEIGHT :
- 268.37
- WISWESSER LINE NOTATION :
- T56 BN DN FNVMVJ B1 CS4 F1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02447